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4-Oxatricyclo[5.1.0.0(1,3)]octan-5-one
SpectraBase Compound ID KOC2WdTkMwM
InChI InChI=1S/C7H8O2/c8-6-1-4-2-7(4)3-5(7)9-6/h4-5H,1-3H2/t4-,5-,7?/m0/s1
InChIKey SZBMCJUEPDFBHW-CNGBTNQNSA-N
Mol Weight 124.14 g/mol
Molecular Formula C7H8O2
Exact Mass 124.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39xTDcvP22p
Name 4-Oxatricyclo[5.1.0.0(1,3)]octan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O2
InChI InChI=1S/C7H8O2/c8-6-1-4-2-7(4)3-5(7)9-6/h4-5H,1-3H2/t4-,5-,7?/m0/s1
InChIKey SZBMCJUEPDFBHW-CNGBTNQNSA-N
Molecular Weight 124.139 g/mol
SMILES C123[C@](OC(=O)C[C@@]3([H])C1)([H])C2
SPLASH splash10-0gbm-9000000000-ceda7ea20852526dec7e
Source of Spectrum J-63-1398-19
Synonyms (3S,7R)-4-Oxatricyclo[5.1.0.0(1,3)]octan-5-one
Wiley ID 1128814